1,3,5-triazine-2-sulfonyl fluoride

C3H2FN3O2S — CID 139392051

IUPAC1,3,5-triazine-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1ncncn1
InChIInChI=1S/C3H2FN3O2S/c4-10(8,9)3-6-1-5-2-7-3/h1-2H
InChIKeyHSLSNFQTGSHOGA-UHFFFAOYSA-N
MW163.13 g/mol
LogP-0.47
Rot. Bonds1

About 1,3,5-triazine-2-sulfonyl fluoride

1,3,5-triazine-2-sulfonyl fluoride (PubChem CID 139392051) has the molecular formula C3H2FN3O2S and a molecular weight of 163.13 g/mol. Its IUPAC name is 1,3,5-triazine-2-sulfonyl fluoride.

Molecular Properties

Compound Name1,3,5-triazine-2-sulfonyl fluoride
PubChem CID139392051
Molecular FormulaC3H2FN3O2S
Molecular Weight163.13 g/mol
Exact Mass162.99
IUPAC Name1,3,5-triazine-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1ncncn1
InChIInChI=1S/C3H2FN3O2S/c4-10(8,9)3-6-1-5-2-7-3/h1-2H
InChIKeyHSLSNFQTGSHOGA-UHFFFAOYSA-N
XLogP-0.47
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Trifluoromethylsulfonyl)-1,3,5-triazine
CID 69632176
4-Fluoro-1,3,5-triazine-2-sulfonyl chloride
CID 87327518
1,3,5-Triazine-2-sulfonic acid
CID 19823940
1,3,5-Triazine-2-sulfonamide
CID 20026162
1,3,5-Triazine-2-sulfonyl chloride
CID 21612059
1,3,5-Triazine-2,4-disulfonic acid
CID 54377941
1,3,5-Triazine-2-sulfinate
CID 57191348
1,3,5-Triazine-2-sulfinic acid
CID 57191349
Amino 1,3,5-triazine-2-sulfonate
CID 57283303
2-Sulfinatosulfonyl-1,3,5-triazine
CID 69807604
4-Chloro-1,3,5-triazine-2-sulfonyl chloride
CID 87328580
1,3,5-Triazine-2,4-disulfonyl chloride
CID 88789072

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2-sulfonyl fluoride?
The IUPAC name of 1,3,5-triazine-2-sulfonyl fluoride (CID 139392051) is 1,3,5-triazine-2-sulfonyl fluoride.
What is the SMILES notation for 1,3,5-triazine-2-sulfonyl fluoride?
The canonical SMILES for 1,3,5-triazine-2-sulfonyl fluoride is O=S(=O)(F)c1ncncn1.
What is the InChIKey of 1,3,5-triazine-2-sulfonyl fluoride?
The InChIKey is HSLSNFQTGSHOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2FN3O2S/c4-10(8,9)3-6-1-5-2-7-3/h1-2H.
What are the key properties of 1,3,5-triazine-2-sulfonyl fluoride?
1,3,5-triazine-2-sulfonyl fluoride has a molecular weight of 163.13 g/mol, XLogP of -0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2-sulfonyl fluoride is sourced from PubChem (CID 139392051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).